Basic information
- Standard SMILES
CSc1nc(N)c(C(=O)C(C#N)C(=O)OC(C)(C)C)s1- InChIKey
HSTSYQUNSULOHO-UHFFFAOYSA-N- Molecular formula
- C12H15N3O3S2
- Average molar mass
- 313.4 g/mol
Names & identifiers
- Preferred name
- 3-(4-Amino-2-methylsulfanyl-thiazol-5-yl)-2-cyano-3-oxo-propionic acid tert-butyl ester
- IUPAC
- tert-butyl 3-(4-amino-2-methylsulfanyl-1,3-thiazol-5-yl)-2-cyano-3-oxopropanoate
Names & synonyms
SCHEMBL3180861HSTSYQUNSULOHO-UHFFFAOYSA-N3-(4-amino-2-methylsulfanyl-thiazol-5-yl)-2-cyano-3-oxo-propionic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68540342
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 441
Related reactions
1 records
Compound notes
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